Pub. Date : 2011
PMID : 21976981
3 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | For the current study, Hartree-Fock calculations were used to investigate the solvent-induced effects of five different solvent media (acetone, ethanol, methanol, dimethyl sulfoxide, and water) on the thermochemical parameters and relative energies, and on the multinuclear nuclear magnetic resonance shielding tensors of oxygen, nitrogen, and phosphorus nuclei, of GAT. | Water | glycine-N-acyltransferase | Homo sapiens |
| 2 | Another important objective of this study was to compare the hydration Gibbs free energies of CUA and GAT in water using two different approaches where the solvent was treated as a continuum of the constant at different levels of Hartree-Fock theory. | Water | glycine-N-acyltransferase | Homo sapiens |
| 3 | The clustered structures of water molecules around the hot spots of GAT (in DNA level) and CUA (in transcriptional level) were found to be energetically favored. | Water | glycine-N-acyltransferase | Homo sapiens |